Information card for entry 7229717

Structure parameters

• Formula: C37 H25 Br4 Ga N3 O2 S
• Calculated formula: C37 H25 Br4 Ga N3 O2 S
• SMILES: Br[Ga](Br)(Br)[Br-].S1c2cc(N3c4ccccc4Oc4ccccc34)ccc2N(c2ccc(N3c4ccccc4Oc4ccccc34)cc12)C
• Title of publication: Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines
• Authors of publication: Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 88
• Pages of publication: 56144
• a: 7.251 ± 0.004 Å
• b: 27.486 ± 0.013 Å
• c: 17.493 ± 0.008 Å
• α: 90°
• β: 93.977 ± 0.006°
• γ: 90°
• Cell volume: 3478 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No